N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine

C14H25N3O3 — CID 103176424

IUPACN,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine
SMILESCCNc1cc(OCCOCCCOC)nc(CC)n1
InChIInChI=1S/C14H25N3O3/c1-4-12-16-13(15-5-2)11-14(17-12)20-10-9-19-8-6-7-18-3/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyUMMMFRVZCOCYSQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.90
Rot. Bonds11

About N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine

N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine (PubChem CID 103176424) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine
PubChem CID103176424
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine
SMILESCCNc1cc(OCCOCCCOC)nc(CC)n1
InChIInChI=1S/C14H25N3O3/c1-4-12-16-13(15-5-2)11-14(17-12)20-10-9-19-8-6-7-18-3/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyUMMMFRVZCOCYSQ-UHFFFAOYSA-N
XLogP1.90
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-6-(3-methoxypropoxy)-N-propylpyrimidin-4-amine
CID 80941336
[6-[2-(3-methoxypropoxy)ethoxy]-2-propylpyrimidin-4-yl]hydrazine
CID 103176595
2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine
CID 103408531
6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941132
6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine
CID 80941359
N-ethyl-6-[2-(3-methoxypropoxy)ethoxy]pyridin-2-amine
CID 103176415
N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine
CID 103176501
6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
CID 82454415
N,2-diethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-4-amine
CID 80941958
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198
N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80942434
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine?
The IUPAC name of N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine (CID 103176424) is N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine is CCNc1cc(OCCOCCCOC)nc(CC)n1.
What is the InChIKey of N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine?
The InChIKey is UMMMFRVZCOCYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-12-16-13(15-5-2)11-14(17-12)20-10-9-19-8-6-7-18-3/h11H,4-10H2,1-3H3,(H,15,16,17).
What are the key properties of N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine?
N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine has a molecular weight of 283.37 g/mol, XLogP of 1.90, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine is sourced from PubChem (CID 103176424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).